Name: methyl 2-(6-chloro-1,3-benzodioxol-5-yl)-2-hydroxyacetate
SMILES:
COC(=O)C(O)c1cc2c(cc1Cl)OCO2Molecular Processing
Molecular formula
C10H9ClO5
Molecular weight
244.63
Exact mass
244.0139
XLogP
1.28
TPSA
64.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
54.55
Supplementary Information
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